10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine

C39H24N4O4 — CID 140893467

IUPAC10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine
SMILESc1ccc2c(c1)Oc1ccc(Oc3ccc4c(c3)N(c3nc5ccccc5[nH]3)c3ccccc3O4)cc1C2c1nc2ccccc2o1
InChIInChI=1S/C39H24N4O4/c1-6-14-32-25(9-1)37(38-40-29-12-4-7-15-34(29)47-38)26-21-23(17-19-33(26)45-32)44-24-18-20-36-31(22-24)43(30-13-5-8-16-35(30)46-36)39-41-27-10-2-3-11-28(27)42-39/h1-22,37H,(H,41,42)
InChIKeyRMZUNMOBGVLINM-UHFFFAOYSA-N
MW612.65 g/mol
LogP10.36
Rot. Bonds4

About 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine

10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine (PubChem CID 140893467) has the molecular formula C39H24N4O4 and a molecular weight of 612.65 g/mol. Its IUPAC name is 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine.

Molecular Properties

Compound Name10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine
PubChem CID140893467
Molecular FormulaC39H24N4O4
Molecular Weight612.65 g/mol
Exact Mass612.18
IUPAC Name10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine
SMILESc1ccc2c(c1)Oc1ccc(Oc3ccc4c(c3)N(c3nc5ccccc5[nH]3)c3ccccc3O4)cc1C2c1nc2ccccc2o1
InChIInChI=1S/C39H24N4O4/c1-6-14-32-25(9-1)37(38-40-29-12-4-7-15-34(29)47-38)26-21-23(17-19-33(26)45-32)44-24-18-20-36-31(22-24)43(30-13-5-8-16-35(30)46-36)39-41-27-10-2-3-11-28(27)42-39/h1-22,37H,(H,41,42)
InChIKeyRMZUNMOBGVLINM-UHFFFAOYSA-N
XLogP10.36
TPSA85.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.65
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine with MolForge

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Related Compounds

1-[4-[1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethenyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]ethanamine
CID 70328919
5-methoxy-2-(8-methoxy-2-methylquinolin-5-yl)-1,3-benzoxazole;methyl 2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-3H-benzimidazole-5-carboxylate
CID 159995509
methane;5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylquinolin-8-ol;methyl 2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-3H-benzimidazole-5-carboxylate
CID 160792378
6-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-fluoro-1-N,6-N-diphenyldibenzofuran-1,6-diamine
CID 164805695
Beryllium;2-(1,3-benzoxazol-3-ium-2-yl)phenolate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
CID 57621659
18,21,36,40-Tetrakis(2,3-diaminophenoxy)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2(40),3,5(39),6,8,10,12,16,18,20,22,24,26,28,30,34,37-octadecaene-15,33-dione
CID 118133755
18,21,36,40-Tetrakis(2,3-diaminophenoxy)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(36),2(40),3,5(39),6,8,10,12,16,18,20,22,26,28,30,32,34,37-octadecaene-15,24-dione
CID 118133762
18,21,36,40-Tetrakis(2-amino-4-methoxyphenoxy)-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2(40),3,5(39),6,8,10,12,16,18,20,22,24,26,28,30,34,37-octadecaene-15,33-dione
CID 118136296
6-Phenyl-2-(10-phenylphenazin-5-yl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 118532615
15-(8-Oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 129297303
18-(8-Oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-15-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 129297853
2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzofuro[3,2-h]quinazoline
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Frequently Asked Questions

What is the IUPAC name of 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine?
The IUPAC name of 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine (CID 140893467) is 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine.
What is the SMILES notation for 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine?
The canonical SMILES for 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine is c1ccc2c(c1)Oc1ccc(Oc3ccc4c(c3)N(c3nc5ccccc5[nH]3)c3ccccc3O4)cc1C2c1nc2ccccc2o1.
What is the InChIKey of 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine?
The InChIKey is RMZUNMOBGVLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O4/c1-6-14-32-25(9-1)37(38-40-29-12-4-7-15-34(29)47-38)26-21-23(17-19-33(26)45-32)44-24-18-20-36-31(22-24)43(30-13-5-8-16-35(30)46-36)39-41-27-10-2-3-11-28(27)42-39/h1-22,37H,(H,41,42).
What are the key properties of 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine?
10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine has a molecular weight of 612.65 g/mol, XLogP of 10.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-benzimidazol-2-yl)-2-[[9-(1,3-benzoxazol-2-yl)-9H-xanthen-2-yl]oxy]phenoxazine is sourced from PubChem (CID 140893467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).